SCHEMBL24255517

SCHEMBL24255517

COc1cc(Nc2ncc(Cl)c(NCC3CCCO3)n2)ccc1N1CCN(I)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 17/20 0.71
ALK Q9UM73 3/20 0.65
JAK2 O60674 2/20 0.65
SRC P12931 2/20 0.65
ROS1 P08922 2/20 0.64
CHEK1 O14757 1/20 0.64
ABL1 P00519 1/20 0.64
LCK P06239 1/20 0.64
FGFR1 P11362 1/20 0.64
TYK2 P29597 1/20 0.64
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
BRD4 O60885 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26270588 0.93 TNK2 (0.82) TNK2ALKJAK2SRCROS1
SCHEMBL24255341 0.93 TNK2 (0.82) TNK2ALKJAK2SRCROS1
SCHEMBL24255483 0.87 TNK2 (0.70) TNK2ALKJAK2SRCROS1
SCHEMBL24255515 0.85 TNK2 (0.79) TNK2ALKJAK2SRCROS1
SCHEMBL24255476 0.85 TNK2 (0.79) TNK2ALKJAK2SRCROS1
SCHEMBL24255512 0.83 TNK2 (0.69) TNK2ALKJAK2SRCROS1
SCHEMBL24255504 0.80 TNK2 (0.82) TNK2ALKJAK2SRCROS1
SCHEMBL26361443 0.80 TNK2 (0.61) TNK2ALKJAK2SRCROS1
SCHEMBL24255519 0.79 TNK2 (0.74) TNK2ALKJAK2SRCROS1
SCHEMBL24255343 0.79 TNK2 (0.76) TNK2ALKJAK2SRCROS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022036312-A2 INHIBITORS OF ACK1/TNK1 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-02-17 WO disclosed